Unrestricted geometry optimization
ZILING LUO
oliver... at gmail.com
Tue Oct 10 16:20:26 UTC 2017
Hi,
I am trying to run geometry optimization with unrestricted electrons. The
problem is the simulation stoped after several steps due to bad condition
number. I am wondering is there any way to slove this problem. I attached
the test input file. Thanks a lot!
Ziling
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